5UKP
Structure of unliganded anti-gp120 CD4bs antibody DH522.1 Fab
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2015-08-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 70.682, 70.682, 169.835 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.562 - 2.000 |
| R-factor | 0.1942 |
| Rwork | 0.192 |
| R-free | 0.23610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | The starting model was a hybrid of the heavy chain from CH103UCA Fab (PDB 4QHK) with the light chain from A32 (PDB 3TNM). |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.182 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.000 |
| Number of reflections | 33888 |
| <I/σ(I)> | 18.4 |
| Completeness [%] | 99.7 |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M HEPES pH 7.5, 30% 1,2-propanediol, 20% PEG 400 |
